COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL437459
Chemical Name: 4-{5,11-bis[(4-methylphenyl)sulfonyl]-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocin-13-yl}-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N1C2c3ccccc3N(C1c1c(N2S(=O)(=O)c2ccc(cc2)C)cccc1)S(=O)(=O)c1ccc(cc1)C

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Molecular Weight: 824.96
Empirical Formula: C40H36N6O8S3

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 5.704
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 193
Number of rings: 8

     

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